5-Acetyloxyethyl-2-hydroxypheny Ethanone - CAS 58282-50-1
Catalog: |
BB075431 |
Product Name: |
5-Acetyloxyethyl-2-hydroxypheny Ethanone |
CAS: |
58282-50-1 |
Synonyms: |
1-[5-[2-(Acetyloxy)ethyl]-2-hydroxyphenyl]-ethanone |
IUPAC Name: | 2-(3-acetyl-4-hydroxyphenyl)ethyl acetate |
Description: | Used in the preparation of benzopyran derivatives for their antiinflammatory properties. |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)CCOC(=O)C)O |
InChI: | InChI=1S/C12H14O4/c1-8(13)11-7-10(3-4-12(11)15)5-6-16-9(2)14/h3-4,7,15H,5-6H2,1-2H3 |
InChI Key: | DCGRLMABSSGAPH-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | Yellow Oil |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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